1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one (CAS 96543-84-9) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-1-(1,3-benzodioxol-5-yl)propan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(phenylamino)propan-1-one, 3-anilino-1-(1,3-benzodioxol-5-yl)-1-propanone, 3-anilino-1-(1,3-benzodioxol-5-yl)propan-1-one, AE-641/00552008, 1-(benzo[d][1,3]dioxol-5-yl)-3-(phenylamino)propan-1-one
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 96543-84-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CCNC3=CC=CC=C3 |
| InChIKey | SVCZXAXMRFPDKP-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one (CAS 96543-84-9), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 3-anilino-1-(1,3-benzodioxol-5-yl)propan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one
The XLogP value of 3.6 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one is 96543-84-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one is C16H15NO3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one is 269.11 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(phenylamino)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.